3-(1-butylsulfonylpiperidin-4-yl)-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea

Systemtic Name: 3-(1-butylsulfonylpiperidin-4-yl)-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Openeye Name: 3-(1-butylsulfonyl-4-piperidyl)-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea CAS Name: 3-(1-butylsulfonyl-4-piperidinyl)-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea IUPAC Name: 3-(1-butylsulfonylpiperidin-4-yl)-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Traditional Name: 3-(1-butylsulfonyl-4-piperidyl)-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea Formula: C20H30N4O3S3 MolecularWeight: 470.6722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC(CC1)NC(=O)N(C2=CC3=C(C=C2)NC(=S)S3)C(C)C

Isomeric SMILES

CCCCS(=O)(=O)N1CCC(CC1)NC(=O)N(C2=CC3=C(C=C2)NC(=S)S3)C(C)C

InChI

InChI=1S/C20H30N4O3S3/c1-4-5-12-30(26,27)23-10-8-15(9-11-23)21-19(25)24(14(2)3)16-6-7-17-18(13-16)29-20(28)22-17/h6-7,13-15H,4-5,8-12H2,1-3H3,(H,21,25)(H,22,28)