1-[3-phenylpropanoyl(3-phenylpropyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea

Systemtic Name: 1-[3-phenylpropanoyl(3-phenylpropyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Openeye Name: 1-[3-phenylpropanoyl(3-phenylpropyl)amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea CAS Name: 1-[(1-oxo-3-phenylpropyl)-(3-phenylpropyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea IUPAC Name: 1-[3-phenylpropanoyl(3-phenylpropyl)amino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Traditional Name: 1-[hydrocinnamoyl(3-phenylpropyl)amino]-3-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)urea Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(C(=O)CCC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)CCCN(C(=O)CCC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

InChI

InChI=1S/C21H23N5O2S2/c27-18(14-13-17-10-5-2-6-11-17)26(15-7-12-16-8-3-1-4-9-16)25-19(28)22-20-23-24-21(29)30-20/h1-6,8-11H,7,12-15H2,(H,24,29)(H2,22,23,25,28)