1-[5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

Systemtic Name: 1-[5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea Openeye Name: 1-[5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea CAS Name: 1-[5-(4-methyl-1-piperazinyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea IUPAC Name: 1-[5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea Traditional Name: 1-[2-keto-5-(4-methylpiperazino)-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea Formula: C21H28N8O2S MolecularWeight: 456.56442

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=NN=C(S3)C)N4CCN(CC4)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=NN=C(S3)C)N4CCN(CC4)C

InChI

InChI=1S/C21H28N8O2S/c1-4-9-29-16-8-6-5-7-15(16)18(28-12-10-27(3)11-13-28)22-17(19(29)30)23-20(31)24-21-26-25-14(2)32-21/h5-8,17H,4,9-13H2,1-3H3,(H2,23,24,26,31)