1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-ethyl-thiourea

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-ethyl-thiourea Openeye Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-ethyl-thiourea CAS Name: 1-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-3-ethylthiourea IUPAC Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-ethylthiourea Traditional Name: 1-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]-3-ethyl-thiourea Formula: C18H18N4OS3 MolecularWeight: 402.55672

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCNC(=S)NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N4OS3/c1-2-19-17(24)22-21-16(23)13-9-7-12(8-10-13)11-25-18-20-14-5-3-4-6-15(14)26-18/h3-10H,2,11H2,1H3,(H,21,23)(H2,19,22,24)